N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide

C19H22N4O2 — CID 50951523

IUPACN-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
SMILESCN(C(=O)c1cnc(N2CCOCC2)nc1)C1Cc2ccccc2C1
InChIInChI=1S/C19H22N4O2/c1-22(17-10-14-4-2-3-5-15(14)11-17)18(24)16-12-20-19(21-13-16)23-6-8-25-9-7-23/h2-5,12-13,17H,6-11H2,1H3
InChIKeyJTYRNAFLZARZTI-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.55
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide

N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide (PubChem CID 50951523) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
PubChem CID50951523
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
SMILESCN(C(=O)c1cnc(N2CCOCC2)nc1)C1Cc2ccccc2C1
InChIInChI=1S/C19H22N4O2/c1-22(17-10-14-4-2-3-5-15(14)11-17)18(24)16-12-20-19(21-13-16)23-6-8-25-9-7-23/h2-5,12-13,17H,6-11H2,1H3
InChIKeyJTYRNAFLZARZTI-UHFFFAOYSA-N
XLogP1.55
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide (CID 50951523) is N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide is CN(C(=O)c1cnc(N2CCOCC2)nc1)C1Cc2ccccc2C1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide?
The InChIKey is JTYRNAFLZARZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-22(17-10-14-4-2-3-5-15(14)11-17)18(24)16-12-20-19(21-13-16)23-6-8-25-9-7-23/h2-5,12-13,17H,6-11H2,1H3.
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide?
N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 50951523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).